Chemical ID: 5686951

CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CC[NH+](CC)CC)c3ccc(cc3)N(=O)=O)[O-]
Chemical ID:
5686951
Name [?]:
(4-butoxy-3-methyl-phenyl)-[1-(2-diethylammonioethyl)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CC[NH+](CC)CC)c3ccc(cc3)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H35N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-41.9179
Area:758.133
Solvation:-60.8712
Coulombic:-22.8787
Bond Count [?]
All:39
Single:28
Double:11
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:509.594
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:4.64
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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